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127-77-5

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Basic Information
CAS No.: 127-77-5
Name: Sulfabenz
Article Data: 38
Molecular Structure:
Molecular Structure of 127-77-5 (Sulfabenz)
Formula: C12H12N2O2S
Molecular Weight: 248.305
Synonyms: Sulfanilanilide(6CI,7CI,8CI);4-(Phenylsulfamoyl)benzenamine;4-Amino-N-phenylbenzenesulfonamide;4-Aminobenzenesulfonanilide;N-Phenyl4-aminobenzenesulfonamide;N1-Phenylsulfanilamide;NSC 2619;Sulfa Vet;Sulfabenz;p-Amino-N-phenylbenzenesulfonamide;p-Aminobenzenesulfonanilide;
EINECS: 204-865-7
Density: 1.373 g/cm3
Melting Point: 200°
Boiling Point: 445.1 °C at 760 mmHg
Flash Point: 223 °C
Solubility: 7g/L(100 oC)
PSA: 80.57000
LogP: 3.80460
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Specification

The CAS register number of Sulfabenz is 127-77-5. It also can be called as 4-Amino-N-phenylbenzenesulfonamide and the IUPAC name about this chemical is 4-amino-N-phenylbenzenesulfonamide. Classification Code about this chemical are Antibacterial and Coccidiostat [for poultry].

Physical properties about Sulfabenz are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 1.55; (4)ACD/BCF (pH 5.5): 8.95; (5)ACD/BCF (pH 7.4): 8.81; (6)ACD/KOC (pH 5.5): 167; (7)ACD/KOC (pH 7.4): 164.49; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49Å2; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 67.54 cm3; (14)Molar Volume: 180.8 cm3; (15)Polarizability: 26.77x10-24cm3; (16)Surface Tension: 64.9 dyne/cm; (17)Enthalpy of Vaporization: 70.31 kJ/mol; (18)Vapour Pressure: 4.05E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccccc1)c2ccc(N)cc2
(2)InChI: InChI=1/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
(3)InChIKey: YBUXKQSCKVQATK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
(5)Std. InChIKey: YBUXKQSCKVQATK-UHFFFAOYSA-N